UCSF

ZINC37110209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 4.27 -30.11 3 3 1 43 200.331 4
Hi High (pH 8-9.5) 1.73 2.3 -5 2 3 0 42 199.323 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )